2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol

C22H30O2 — CID 155313673

IUPAC2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol
SMILESCc1cc(-c2cc(C)c(OC(C)(C)C)c(C)c2C)c(C)c(C)c1O
InChIInChI=1S/C22H30O2/c1-12-10-18(14(3)16(5)20(12)23)19-11-13(2)21(17(6)15(19)4)24-22(7,8)9/h10-11,23H,1-9H3
InChIKeyLGQMHYCEIKJOPS-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.09
Rot. Bonds2

About 2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol

2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol (PubChem CID 155313673) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol.

Molecular Properties

Compound Name2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol
PubChem CID155313673
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol
SMILESCc1cc(-c2cc(C)c(OC(C)(C)C)c(C)c2C)c(C)c(C)c1O
InChIInChI=1S/C22H30O2/c1-12-10-18(14(3)16(5)20(12)23)19-11-13(2)21(17(6)15(19)4)24-22(7,8)9/h10-11,23H,1-9H3
InChIKeyLGQMHYCEIKJOPS-UHFFFAOYSA-N
XLogP6.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol?
The IUPAC name of 2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol (CID 155313673) is 2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol.
What is the SMILES notation for 2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol?
The canonical SMILES for 2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol is Cc1cc(-c2cc(C)c(OC(C)(C)C)c(C)c2C)c(C)c(C)c1O.
What is the InChIKey of 2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol?
The InChIKey is LGQMHYCEIKJOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-12-10-18(14(3)16(5)20(12)23)19-11-13(2)21(17(6)15(19)4)24-22(7,8)9/h10-11,23H,1-9H3.
What are the key properties of 2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol?
2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol has a molecular weight of 326.48 g/mol, XLogP of 6.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol is sourced from PubChem (CID 155313673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).